(Z)-3-hexen-1-yl tiglate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
InChI :InChI=1/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6+,10-5-
InChIKey :JNWQKXUWZWKUAY-BHHIIOOYBB
SMILES :CC\C=C/CCOC(=O)/C(=C\C)/C
(EINECS) number :267-554-5
cas number :67883-79-8
beilstein number :2961441
fema number :3931
jecfa number :1277
fl. number :09.559
molar refractivity :54.74 ± 0.3 cm3
parachor :465.1 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.908 ± 0.06 g/cm3
polarizability :21.70 ± 0.5 10-24cm3
xlogp : 3.20
molecular weight : 182.2594200
formula :C11 H18 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  
green earthy vegetable mushroom radish
taste description³ :at 1.00 - 5.00 ppm.  
Green vegetative mushroom with herbaceous and fatty nuances
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91000 - 0.91800 @ 25.00 °C.
pounds per gallon - calc. : 7.572 to 7.639
refractive index :1.45600 - 1.46100 @ 20.00 °C.
boiling point : 140.00 °C. @ 30.00 mm Hg
boiling point : 105.00 °C. @ 5.00 mm Hg
logp : 4.20
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 146.00  °F.  TCC  ( 63.33 °C. )
  
recommendation for (Z)-3-hexen-1-yl tiglate usage levels up to :
  6.0000 % in the fragrance concentrate.
  
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
publication number : 19. Updated in publication number(s) : 20
3931 average usual ppmaverage maximum ppm
baked goods : 16.0000030.00000
beverages(nonalcoholic) : 2.000005.00000
beverages(alcoholic) : 4.100008.10000
breakfast cereal : --
cheese : --
chewing gum : 0.100000.10000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 7.0000015.00000
fruit ices : --
gelatins / puddings : 4.000008.00000
granulated sugar : --
gravies : --
hard candy : 0.200000.20000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 2.000004.00000
meat products : --
milk products : 0.500005.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 2.000003.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
(EINECS) number :267-554-5
rtecs :EM9253500 for 67883-79-8
chemidplus :67883-79-8
epa-srs :67883-79-8
  
other : 
 
references : 
pubchem :40723209
  
reference : Mosciano, Gerard P&F 25, No. 5, 72, (2000)³
synonyms :
cis-hex-3-ene-1-yl trans-2-methyl-2-butenoate
(Z)-3-hexen-1-yl (E)-2-methyl 2-butenoate
(Z)-3-hexen-1-yl 2-methyl crotonate
cis-3-hexen-1-yl 2-methyl crotonate
(Z)-3-hexen-1-yl alpha-methyl crotonate
cis-3-hexen-1-yl alpha-methyl crotonate
(Z)-3-hexen-1-yl tiglate
cis-3-hexen-1-yl tiglate
cis-3-hexen-1-yl trans-2-methyl 2-butenoate
cis-3-hexen-1-yl-2-methyl-trans-2-butenoate
(Z)-3-hexenyl (E)-2-methyl 2-butenoate
(Z)-3-hexenyl tiglate
cis-3-hexenyl tiglate
cis-3-hexenyl trans-2-methyl 2-butenoate
(2E)-2-methyl-2-butenoic acid (3Z)-3-hexen-1-yl ester
(E,Z)-2-methyl-2-butenoic acid 3-hexen-1-yl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 algae absolute
 allyl amyl glycolate
isoamyl benzoate
isoamyl butyrate
isoamyl salicylate
 amyris wood oil
para-anisyl alcohol
 bay leaf oil
 benzyl acetate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 bois de rose oil
isobutyl salicylate
 cinnamyl alcohol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
para-cresyl caprylate
 cyclohexyl ethyl alcohol
 diethyl malonate
 dihydromyrcenol
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl heptanoate
 fir needle oil
 floral pyranol
 galbanum oil
 gardenia oxide
 geranyl acetate
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 ionones
2,4-ivy carbaldehyde
 lavender absolute
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 melon heptenal
 melon nonenoate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl octine carbonate
 mimosa absolute
 muguet carboxaldehyde
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 oakmoss absolute
 ocean propanal
 octanal
 pepper oil black
 petitgrain oil
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 rose butanoate
 rose oxides
 spruce oil
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
 tetrahydromyrcenol
10-undecen-1-al
 violet leaf absolute
 violet methyl carbonate
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 banana
 bark
 fern fougere
 floral
 foliage
 gardenia
 green
 herbal
 jasmin
 leaf green leaf
 mango
 melon watermelon muskmelon cantaloupe
 moss
 mushroom
 pepper bell pepper
 tomato
 woody
natural occurrence in :
data pagechampaca concrete @ 0.02%
gardenia
data pagevassoura oil @ <0.01%



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